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1,2-Butanediol, 2-phenyl-, 1-(4-methylbenzenesulfonate), (S)- is a complex organic compound with the molecular formula C15H18O5S. It is a chiral molecule, with the (S)-configuration indicating the spatial arrangement of its atoms. 1,2-Butanediol, 2-phenyl-, 1-(4-methylbenzenesulfonate), (S)- is characterized by a 1,2-butanediol backbone, which is a four-carbon diol with two hydroxyl groups. The 2-phenyl group attached to the butanediol indicates the presence of a phenyl ring (a benzene ring with a hydrogen atom replaced by a carbon-carbon double bond) at the second carbon of the butanediol. Additionally, the 1-(4-methylbenzenesulfonate) group signifies that a 4-methylbenzenesulfonate moiety, which includes a methyl group attached to a benzene ring that is further connected to a sulfonate group, is attached to the first carbon of the butanediol. 1,2-Butanediol, 2-phenyl-, 1-(4-methylbenzenesulfonate), (S)- is used in various chemical reactions and processes, particularly in the synthesis of pharmaceuticals and other specialty chemicals.

2455-52-9

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2455-52-9 Usage

Chirality

Chiral molecule

Enantiomer

(S)-enantiomer

Optical properties

Specific optical properties due to chirality

Chemical properties

Specific chemical properties due to chirality

Applications

a. Intermediate in the synthesis of pharmaceuticals and fine chemicals
b. Chiral building block in organic synthesis, particularly in the production of chiral drugs
c. Manufacturing of fragrances, flavors, and other specialty chemicals

Industrial and pharmaceutical importance

Wide range of applications in both industries due to its unique properties

Check Digit Verification of cas no

The CAS Registry Mumber 2455-52-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,4,5 and 5 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 2455-52:
(6*2)+(5*4)+(4*5)+(3*5)+(2*5)+(1*2)=79
79 % 10 = 9
So 2455-52-9 is a valid CAS Registry Number.

2455-52-9Downstream Products

2455-52-9Relevant academic research and scientific papers

Asymmetric Syntheses Based on 1,3-Oxathianes. 2. Synthesis of Chiral Tertiary α-Hydroxy Aldehydes, α-Hydroxy Acids, Glycols (RR'C(OH)CH2OH), and Carbinols (RR'C(OH)CH3) in High Enantiomeric Purity

Lynch, Joseph E.,Eliel, Ernest L.

, p. 2943 - 2948 (2007/10/02)

A chiral 1,3-oxathiane (5) prepared from (+)-pulegone in three steps is converted to diastereomerically pure equatorial 2-acyl derivatives by lithiation, condensation with aldehydes, and Me2SO oxidation.Reaction of the resulting ketones with Grignard reagents at -78 deg C again proceeds highly stereoselectively (diastereomer excess generally above 90percent) according to Cram's rule (cyclic model).The resulting tertiary carbinols when cleaved with NCS/AgNO3 give chiral tertiary α-hydroxy aldehydes, RR'C(OH)CHO, plus a mixture of epimeric sultines which may be readily reconverted to the starting oxathiane.The hydroxy aldehydes have been oxidized to chiral tertiary α-hydroxy acids, RR'C(OH)CO2H, and reduced to primary-tertiary glycols, RR'C(OH)CH2OH, and further to tertiary carbinols, RR'C(OH)CH3, all with over 90percent ee.The opposite enantiomers of these compounds (again >90percent ee) may be obtained by starting with a diastereomeric 1,3-oxathiane (6), also available from (+)-pulegone.The configurations of the chiral products may be deduced from the manner of preparation and the assumption that Cram's rule is valid and agree with prior assignments in the literature.

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